cortisone

Synonyms: "cortisone", "Kendall's compound E", "Andreson", "Cortivite", "Cortistal", "Cortogen", "Cortisate", "Cortisal", "Cortone", "Adrenalex", "Reichstein's substance FA", "Reichstein Fa", "17-Hydroxy-11-dehydrocorticosterone", "Wintersteiner's compound F", "11-Dehydro-17-hydroxycorticosterone", "Cortandren", "Cortisona", "17alpha,21-Dihydroxypregn-4-ene-3,11,20-trione", "Cortison", "Cortisonum [INN-Latin]", "4-Pregnene-17alpha,21-diol-3,11,20-trione", "17alpha-Hydroxy-11-dehydrocorticosterone",

Source: cortisone is a hormone.

Identifiers:

IUPAC Name: (8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione
CAS Number: 53-06-5
PubChem ID: 222786
InChiKey: MFYSYFVPBJMHGN-ZPOLXVRWSA-N
Canonical SMILES: CC12CCC(=O)C=C1CCC3C2C(=O)CC4(C3CCC4(C(=O)CO)O)C

Structural Properties:

Molecular Formula: C₂₁H₂₈O₅
Molecular Weight: 360.4

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 5
Number of atoms different from hydrogen: 26

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3D structure (.sdf)
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Evidence Supporting This Chemical as an Emerging Contaminant

Tran, N. H., Reinhard, M., Khan, E., Chen, H., Nguyen, V. T., Li, Y., ... & Gin, K. Y. H. (2019). Emerging contaminants in wastewater, stormwater runoff, and surface water: Application as chemical markers for diffuse sources. Science of the Total Environment, 676, 252-267.

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